解像度: 2.84→86.684 Å / Cor.coef. Fo:Fc: 0.916 / Cor.coef. Fo:Fc free: 0.874 / SU B: 12.723 / SU ML: 0.248 / 交差検証法: FREE R-VALUE / ESU R Free: 0.343 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2389
1366
5.002 %
Rwork
0.1976
-
-
all
0.2
-
-
obs
-
27308
99.985 %
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å
原子変位パラメータ
Biso mean: 25.84 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.018 Å2
-0 Å2
-0 Å2
2-
-
0.018 Å2
-0 Å2
3-
-
-
-0.036 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.84→86.684 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6284
0
94
45
6423
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.012
6524
X-RAY DIFFRACTION
r_angle_refined_deg
1.714
1.653
8844
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.646
5
787
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.151
22.862
311
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
20.423
15
1120
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
21.797
15
33
X-RAY DIFFRACTION
r_chiral_restr
0.127
0.2
826
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
4900
X-RAY DIFFRACTION
r_nbd_refined
0.219
0.2
2513
X-RAY DIFFRACTION
r_nbtor_refined
0.32
0.2
4287
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.133
0.2
182
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.177
0.2
58
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.214
0.2
7
X-RAY DIFFRACTION
r_mcbond_it
2.863
2.384
3190
X-RAY DIFFRACTION
r_mcangle_it
4.768
3.553
3963
X-RAY DIFFRACTION
r_scbond_it
3.93
2.762
3332
X-RAY DIFFRACTION
r_scangle_it
6.124
3.987
4880
X-RAY DIFFRACTION
r_lrange_it
8.94
30.587
9131
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.089
0.05
8081
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.089
0.05
8089
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.085
0.05
8154
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20